SCHEMBL6151964

SCHEMBL6151964

CC(CN)c1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.49
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HTR2A P28223 6/20 0.44
SLC6A4 P31645 6/20 0.44
KCNH2 Q12809 6/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TBXA2R P21731 2/20 0.42
HSPB1 P04792 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7515248 0.83 TBXA2R (0.47) PDE7AMEN1KMT2AALDH1A1MAPT
SCHEMBL6151967 0.82 HTR2A (0.66) PDE7AHSD17B10MEN1KMT2AALDH1A1
SCHEMBL5836402 0.80 HTR2A (0.48) HTR2ASLC6A4KCNH2
SCHEMBL5836789 0.79 HTR2A (0.67) HTR2ASLC6A4KCNH2
SCHEMBL7515253 0.78 HTR2A (0.47) PDE7AHSD17B10MEN1KMT2AALDH1A1
SCHEMBL5837924 0.77 HTR2A (0.64) HTR2ASLC6A4KCNH2
SCHEMBL5837170 0.77 SLC6A4 (0.46) HTR2ASLC6A4KCNH2
Ammonia Solution, Strong SCHEMBL7466943 0.77 HSD17B10 (0.51) PDE7AHSD17B10MEN1KMT2AALDH1A1
SCHEMBL13860469 0.76 HSD17B10 (0.54) PDE7AHSD17B10MEN1KMT2AALDH1A1
SCHEMBL22069594 0.75 HSPB1 (0.61) PDE7AHSD17B10MEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220831-B1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PROD INC (US) 2005-06-08 EP disclosed
US-6596741-B2 Compounds of formula I exhibit activity as serotonin, norepinephrine, and dopamine reuptake inhibitors and can be used in the treatment of central nervous system and other disorders. PFIZER INC 2003-07-22 US disclosed
US-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors PFIZER INC. 2003-03-20 US disclosed
EP-1220831-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS Pfizer Products Inc. (US) 2002-07-10 EP disclosed
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US disclosed
WO-2001027068-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PRODUCTS INC. (US) 2001-04-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030055038-A1 Novel biaryl ether derivatives useful as monoamine reuptake inhibitors SLC6A2, SLC6A3, SLC18A2 PDE7A 510/4885HSD17B10 344/4885MEN1 2213/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.